zopolrestat   Click here for help

GtoPdb Ligand ID: 7419

Synonyms: CP-73850
PDB Ligand
Compound class: Synthetic organic
Comment: Zopolrestat is an experimental aldose reductase inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 113.32
Molecular weight 419.06
XLogP 3.38
No. Lipinski's rules broken 0
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Canonical SMILES OC(=O)Cc1nn(Cc2nc3c(s2)ccc(c3)C(F)(F)F)c(=O)c2c1cccc2
Isomeric SMILES OC(=O)Cc1nn(Cc2nc3c(s2)ccc(c3)C(F)(F)F)c(=O)c2c1cccc2
InChI InChI=1S/C19H12F3N3O3S/c20-19(21,22)10-5-6-15-14(7-10)23-16(29-15)9-25-18(28)12-4-2-1-3-11(12)13(24-25)8-17(26)27/h1-7H,8-9H2,(H,26,27)
1. Srivastava SK, Ramana KV, Bhatnagar A. (2005)
Role of aldose reductase and oxidative damage in diabetes and the consequent potential for therapeutic options.
Endocr Rev, 26 (3): 380-92. [PMID:15814847]
2. Van Zandt MC, Jones ML, Gunn DE, Geraci LS, Jones JH, Sawicki DR, Sredy J, Jacot JL, Dicioccio AT, Petrova T et al.. (2005)
Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications.
J Med Chem, 48 (9): 3141-52. [PMID:15857120]